Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phospho-N-acetylmuramoyl-pentapeptide-transferase' and Ligand = 'BDBM50221511'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phospho-N-acetylmuramoyl-pentapeptide-transferase (Escherichia coli (strain K12))	BDBM50221511 (CHEMBL95329) Show SMILES [H][C@@]1(O[C@H]([C@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H]1OC)n1ccc(=O)[nH]c1=O)[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)N[C@H]1CCC[C@@H](C)NC1=O)C(N)=O |c:40| Show InChI InChI=1S/C40H63N5O13/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29(48)56-34-31(54-3)32(57-38(34)45-22-21-28(47)44-40(45)53)33(35(41)50)58-39-30(49)26(46)23-27(55-39)37(52)43-25-19-17-18-24(2)42-36(25)51/h21-26,30-34,38-39,46,49H,4-20H2,1-3H3,(H2,41,50)(H,42,51)(H,43,52)(H,44,47,53)/t24-,25+,26+,30+,31-,32+,33-,34-,38-,39-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	523	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration required against Translocase I				Bioorg Med Chem Lett 13: 2833-6 (2003) BindingDB Entry DOI: 10.7270/Q2VX0JP8
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